| SpectraBase Spectrum ID |
HzdRXAhnjlk |
| Name |
1H-Cycloprop[C]inden-4(5H)-one, 1A-(acetyloxy)hexahydro-3A-methyl-, (1A.alpha.,3A.alpha.,7as*)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-9(14)16-13-7-6-11(2)10(15)4-3-5-12(11,13)8-13/h3-8H2,1-2H3/t11-,12-,13-/m0/s1 |
| InChIKey |
VXQVBIVYNSPJEX-AVGNSLFASA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
[C@]123[C@](OC(=O)C)(CC[C@]3(C(=O)CCC1)C)C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831161 |
![1H-Cycloprop[c]inden-4(5H)-one, 1a-(acetyloxy)hexahydro-3a-methyl-, (1a.alpha.,3a.alpha.,7aS*)-](/api/spectrum/HzdRXAhnjlk/structure.png?h=300&w=458 "1H-Cycloprop[c]inden-4(5H)-one, 1a-(acetyloxy)hexahydro-3a-methyl-, (1a.alpha.,3a.alpha.,7aS*)-")
